N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide

C28H29FN2O5S — CID 15958416

IUPACN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4F)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H29FN2O5S/c1-35-25-14-13-19(15-26(25)36-23-9-2-3-10-23)20-16-28(32)31(18-20)22-8-6-7-21(17-22)30-37(33,34)27-12-5-4-11-24(27)29/h4-8,11-15,17,20,23,30H,2-3,9-10,16,18H2,1H3/t20-/m0/s1
InChIKeyZXVMWANVYLYMAJ-FQEVSTJZSA-N
MW524.61 g/mol
LogP5.48
Rot. Bonds8

About N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide (PubChem CID 15958416) has the molecular formula C28H29FN2O5S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide
PubChem CID15958416
Molecular FormulaC28H29FN2O5S
Molecular Weight524.61 g/mol
Exact Mass524.18
IUPAC NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4F)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H29FN2O5S/c1-35-25-14-13-19(15-26(25)36-23-9-2-3-10-23)20-16-28(32)31(18-20)22-8-6-7-21(17-22)30-37(33,34)27-12-5-4-11-24(27)29/h4-8,11-15,17,20,23,30H,2-3,9-10,16,18H2,1H3/t20-/m0/s1
InChIKeyZXVMWANVYLYMAJ-FQEVSTJZSA-N
XLogP5.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide (CID 15958416) is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide is COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4F)c3)C2)cc1OC1CCCC1.
What is the InChIKey of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is ZXVMWANVYLYMAJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H29FN2O5S/c1-35-25-14-13-19(15-26(25)36-23-9-2-3-10-23)20-16-28(32)31(18-20)22-8-6-7-21(17-22)30-37(33,34)27-12-5-4-11-24(27)29/h4-8,11-15,17,20,23,30H,2-3,9-10,16,18H2,1H3/t20-/m0/s1.
What are the key properties of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide?
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 524.61 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 15958416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).